N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide

C20H18N4O5 — CID 121062747

IUPACN-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C20H18N4O5/c25-17(22-10-11-23-20(28)16-4-2-12-29-16)13-5-7-14(8-6-13)24-19(27)15-3-1-9-21-18(15)26/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,28)(H,24,27)
InChIKeyQUGAHODUPLPZCH-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.38
Rot. Bonds7

About N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 121062747) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID121062747
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC NameN-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C20H18N4O5/c25-17(22-10-11-23-20(28)16-4-2-12-29-16)13-5-7-14(8-6-13)24-19(27)15-3-1-9-21-18(15)26/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,28)(H,24,27)
InChIKeyQUGAHODUPLPZCH-UHFFFAOYSA-N
XLogP1.38
TPSA133.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396
N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062816
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 17407524

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 121062747) is N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCCNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QUGAHODUPLPZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c25-17(22-10-11-23-20(28)16-4-2-12-29-16)13-5-7-14(8-6-13)24-19(27)15-3-1-9-21-18(15)26/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,28)(H,24,27).
What are the key properties of N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121062747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).